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CHEBI:111401 - 4-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline

ChEBI IDCHEBI:111401
ChEBI Name4-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
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DownloadsMolfile
FormulaC15H20N4
Net Charge0
Average Mass256.353
Monoisotopic Mass256.16880
SMILESCc1ccc(NCc2nnc3n2CCCCC3)cc1
InChIInChI=1S/C15H20N4/c1-12-6-8-13(9-7-12)16-11-15-18-17-14-5-3-2-4-10-19(14)15/h6-9,16H,2-5,10-11H2,1H3
InChIKeyOPHPDLOQUPTISP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
4-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline (CHEBI:111401) is a aminotoluene (CHEBI:22531)
Manual XrefsDatabases
LSM-22857LINCS